N-ethyl-N-[4-(4-nitrophenyl)sulfonylphenyl]carbamate

C15H13N2O6S- — CID 57356034

IUPACN-ethyl-N-[4-(4-nitrophenyl)sulfonylphenyl]carbamate
SMILESCCN(C(=O)[O-])c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H14N2O6S/c1-2-16(15(18)19)11-3-7-13(8-4-11)24(22,23)14-9-5-12(6-10-14)17(20)21/h3-10H,2H2,1H3,(H,18,19)/p-1
InChIKeyRSGTYJKRSRMUGY-UHFFFAOYSA-M
MW349.34 g/mol
LogP1.60
Rot. Bonds5

About N-ethyl-N-[4-(4-nitrophenyl)sulfonylphenyl]carbamate

N-ethyl-N-[4-(4-nitrophenyl)sulfonylphenyl]carbamate (PubChem CID 57356034) has the molecular formula C15H13N2O6S- and a molecular weight of 349.34 g/mol. Its IUPAC name is N-ethyl-N-[4-(4-nitrophenyl)sulfonylphenyl]carbamate.

Molecular Properties

Compound NameN-ethyl-N-[4-(4-nitrophenyl)sulfonylphenyl]carbamate
PubChem CID57356034
Molecular FormulaC15H13N2O6S-
Molecular Weight349.34 g/mol
Exact Mass349.05
IUPAC NameN-ethyl-N-[4-(4-nitrophenyl)sulfonylphenyl]carbamate
SMILESCCN(C(=O)[O-])c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H14N2O6S/c1-2-16(15(18)19)11-3-7-13(8-4-11)24(22,23)14-9-5-12(6-10-14)17(20)21/h3-10H,2H2,1H3,(H,18,19)/p-1
InChIKeyRSGTYJKRSRMUGY-UHFFFAOYSA-M
XLogP1.60
TPSA120.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl-(4-nitrophenyl)sulfonylcarbamic acid
CID 175264245
N-(4-chlorophenyl)-N-ethyl-4-nitrobenzenesulfonamide
CID 86258856
N-ethyl-4-nitro-N-phenylbenzenesulfonamide
CID 779735
(N-ethyl-4-nitroanilino)methanol
CID 19938996
N-ethyl-4-nitro-N-pentan-3-ylbenzenesulfonamide
CID 142401985
N-(3,5-dimethylphenyl)-N-ethyl-4-nitrobenzenesulfonamide
CID 94622914
N-(4-acetylphenyl)-N-methyl-4-nitrobenzenesulfonamide
CID 11537316
N-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-4-nitrobenzenesulfonamide
CID 86686467
N,N-diethyl-4-(4-nitrophenyl)aniline
CID 21449597
tert-butyl-(4-nitrophenyl)sulfonylcarbamic acid
CID 130408898
methyl 2-chloro-5-[ethyl-(4-nitrophenyl)sulfonylamino]benzoate
CID 100529126
(3S)-3-[methyl-(4-nitrophenyl)sulfonylamino]butanoic acid
CID 16731907

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-(4-nitrophenyl)sulfonylphenyl]carbamate?
The IUPAC name of N-ethyl-N-[4-(4-nitrophenyl)sulfonylphenyl]carbamate (CID 57356034) is N-ethyl-N-[4-(4-nitrophenyl)sulfonylphenyl]carbamate.
What is the SMILES notation for N-ethyl-N-[4-(4-nitrophenyl)sulfonylphenyl]carbamate?
The canonical SMILES for N-ethyl-N-[4-(4-nitrophenyl)sulfonylphenyl]carbamate is CCN(C(=O)[O-])c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-ethyl-N-[4-(4-nitrophenyl)sulfonylphenyl]carbamate?
The InChIKey is RSGTYJKRSRMUGY-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H14N2O6S/c1-2-16(15(18)19)11-3-7-13(8-4-11)24(22,23)14-9-5-12(6-10-14)17(20)21/h3-10H,2H2,1H3,(H,18,19)/p-1.
What are the key properties of N-ethyl-N-[4-(4-nitrophenyl)sulfonylphenyl]carbamate?
N-ethyl-N-[4-(4-nitrophenyl)sulfonylphenyl]carbamate has a molecular weight of 349.34 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-(4-nitrophenyl)sulfonylphenyl]carbamate is sourced from PubChem (CID 57356034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).